General Information of the Compound
| Compound ID |
CP0489348
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| Compound Name |
tert-butyl 4-[4-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C29H29F3N6O4S
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| Molecular Weight |
614.65
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C29H29F3N6O4S/c1-17(39)33-26-36-24-21(6-5-7-22(24)43-26)41-23-16-20(18-8-10-19(11-9-18)29(30,31)32)34-25(35-23)37-12-14-38(15-13-37)27(40)42-28(2,3)4/h5-11,16H,12-15H2,1-4H3,(H,33,36,39)
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| InChIKey |
UODJHRPPSQRSAT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound